6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

C8H9FO4 — CID 18330854

IUPAC6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
SMILESO=C(O)C1CCC2C1C2(F)C(=O)O
InChIInChI=1S/C8H9FO4/c9-8(7(12)13)4-2-1-3(5(4)8)6(10)11/h3-5H,1-2H2,(H,10,11)(H,12,13)
InChIKeyAIINQKNSEWEXAU-UHFFFAOYSA-N
MW188.15 g/mol
LogP0.52
Rot. Bonds2

About 6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid (PubChem CID 18330854) has the molecular formula C8H9FO4 and a molecular weight of 188.15 g/mol. Its IUPAC name is 6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid.

Molecular Properties

Compound Name6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
PubChem CID18330854
Molecular FormulaC8H9FO4
Molecular Weight188.15 g/mol
Exact Mass188.05
IUPAC Name6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
SMILESO=C(O)C1CCC2C1C2(F)C(=O)O
InChIInChI=1S/C8H9FO4/c9-8(7(12)13)4-2-1-3(5(4)8)6(10)11/h3-5H,1-2H2,(H,10,11)(H,12,13)
InChIKeyAIINQKNSEWEXAU-UHFFFAOYSA-N
XLogP0.52
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The IUPAC name of 6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid (CID 18330854) is 6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid.
What is the SMILES notation for 6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The canonical SMILES for 6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid is O=C(O)C1CCC2C1C2(F)C(=O)O.
What is the InChIKey of 6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The InChIKey is AIINQKNSEWEXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO4/c9-8(7(12)13)4-2-1-3(5(4)8)6(10)11/h3-5H,1-2H2,(H,10,11)(H,12,13).
What are the key properties of 6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid has a molecular weight of 188.15 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid is sourced from PubChem (CID 18330854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).